Janocchio Files

In
principle, Janocchio can understand all structural file types supported
by the underlying Jmol program. Tested file types for single structures
are mol, sdf or xyz, and for multi-structure files, sdf and xyz files.
Structure files are loaded via File -> Open.

2. Janocchio NMR data files

This
is own file format (extension .jsn): it stores all information you
enter within the Janocchio program, including atom labels, defined NOEs
and coupling constants, experimental values, conditional formatting, NOE
and coupling parameter settings, and NAMFIS populations. It does not
store the structure or structures itself, but it does remember which
structure file was used with this data. Thus if you try to apply an NMR
data file to the wrong structure you will be warned (but not stopped).If
no structure is loaded and you load an NMR file, you will be asked if
you want to load the structure. NMR data file are loaded via File ->
Read NMR Data.

If you are using NAMFIS as an applet, navigating
away from the web page will save a '.last.jsn' file. On reloading the
web page, the applet will ask if you want to restore this.

3. NAMFIS output files

Janocchio
can read NAMFIS output files and apply the population information
contained therein to the currently loaded structure set.

Creating, saving and opening files

Typically, for a new problem, the user would start by loading a
structure file with File->Open. Next he/she would calculate NOEs and
couplings with Janocchio, then save an NMR data file with the results
(File -> Save NMR data).

To return to this data at a later point, the user can simply load
the NMR data file (File -> Read NMR data). The user will be prompted
to load the associated structure.

If you want someone else to view the Janocchio results, give them
both the structure file and the Janocchio NMR data file: remember, the
structure is not stored in the NMR data file, only a reference to it.
The second user would nead to load the structure (File -> Open), then
the NMR data file (File -> Read NMR data).